Crystallography Open Database

Information card for entry 1551200

Preview

Coordinates	1551200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H54 Ni O3 P2
Calculated formula	C39 H54 Ni O3 P2
SMILES	c12c(cc(cc1C(C)(C)C)C)[P](c1c(OC)cccc1)(c1c(OC)cccc1)[Ni](O2)([P](C)(C)C)c1ccccc1.CCCCC
Title of publication	Development of highly productive nickel‒sodium phenoxyphosphine ethylene polymerization catalysts and their reaction temperature profiles
Authors of publication	Tran, Thi V.; Nguyen, Yennie H.; Do, Loi H.
Journal of publication	Polymer Chemistry
Year of publication	2019
Journal volume	10
Journal issue	27
Pages of publication	3718
a	11.0922 ± 0.0013 Å
b	11.6999 ± 0.0014 Å
c	15.947 ± 0.0019 Å
α	72.262 ± 0.001°
β	71.267 ± 0.001°
γ	81.633 ± 0.001°
Cell volume	1864.1 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.159
Weighted residual factors for all reflections included in the refinement	0.2051
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225335 (current)	2019-11-08	cif/ Updating files of 1551200, 1551201 Original log message: Adding full bibliography for 1551200--1551201.cif.	1551200.cif
215684	2019-06-04	cif/ Adding structures of 1551200, 1551201 via cif-deposit CGI script.	1551200.cif